N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

C22H26N4O — CID 47018637

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCN(CCNC(=O)Cc1cnn(-c2ccccc2)c1)c1cccc(C)c1
InChIInChI=1S/C22H26N4O/c1-3-25(21-11-7-8-18(2)14-21)13-12-23-22(27)15-19-16-24-26(17-19)20-9-5-4-6-10-20/h4-11,14,16-17H,3,12-13,15H2,1-2H3,(H,23,27)
InChIKeyUPRWVNJDVHSRDI-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.37
Rot. Bonds8

About N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 47018637) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID47018637
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCN(CCNC(=O)Cc1cnn(-c2ccccc2)c1)c1cccc(C)c1
InChIInChI=1S/C22H26N4O/c1-3-25(21-11-7-8-18(2)14-21)13-12-23-22(27)15-19-16-24-26(17-19)20-9-5-4-6-10-20/h4-11,14,16-17H,3,12-13,15H2,1-2H3,(H,23,27)
InChIKeyUPRWVNJDVHSRDI-UHFFFAOYSA-N
XLogP3.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112766031
2-[1-(3-methylphenyl)pyrazol-4-yl]acetic acid
CID 83887006
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 46532633
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 5007053
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 47018637) is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is CCN(CCNC(=O)Cc1cnn(-c2ccccc2)c1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is UPRWVNJDVHSRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-25(21-11-7-8-18(2)14-21)13-12-23-22(27)15-19-16-24-26(17-19)20-9-5-4-6-10-20/h4-11,14,16-17H,3,12-13,15H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 362.48 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47018637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).